Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50332889'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50332889 (1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(...) Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N4O/c1-4-5-6-7-10-16(2)26-22(30)21-17(3)23(28-13-8-9-14-28)29(27-21)20-12-11-18(24)15-19(20)25/h8-9,11-16H,4-7,10H2,1-3H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells				Eur J Med Chem 45: 5878-86 (2010) Article DOI: 10.1016/j.ejmech.2010.09.053 BindingDB Entry DOI: 10.7270/Q22Z15T3
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